SCHEMBL14224967

SCHEMBL14224967

O=C(c1cc(-c2csc(-c3ccccn3)n2)c[nH]1)N1CCCC1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATP4A P20648 2/20 0.57
ATP4B P51164 2/20 0.57
ALDH1A1 P00352 3/20 0.48
RAB9A P51151 3/20 0.48
MAPK1 P28482 2/20 0.48
KDM4E B2RXH2 2/20 0.48
CYP2C9 P11712 1/20 0.43
TACR3 P29371 1/20 0.43
PKM P14618 2/20 0.42
NPC1 O15118 1/20 0.42
HPGD P15428 1/20 0.42
TGFBR1 P36897 1/20 0.42
MAPK10 P53779 1/20 0.41
ADORA2A P29274 2/20 0.41
EIF4E P06730 1/20 0.41
CPT1A P50416 1/20 0.41
MAPT P10636 2/20 0.40
GFER P55789 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4C Q9H3R0 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL14224939 0.87 ATP4A (0.61) ATP4AATP4BALDH1A1RAB9AMAPK1
SCHEMBL14224921 0.85 ATP4A (0.57) ATP4AATP4BALDH1A1RAB9AMAPK1
SCHEMBL14224948 0.83 ATP4A (0.57) ATP4AATP4BALDH1A1RAB9AMAPK1
SCHEMBL14224911 0.82 ATP4A (0.56) ATP4AATP4BALDH1A1RAB9AMAPK1
SCHEMBL14315450 0.82 ATP4A (0.58) ATP4AATP4BALDH1A1RAB9AMAPK1
SCHEMBL14224920 0.82 ATP4A (0.60) ATP4AATP4BALDH1A1RAB9AMAPK1
SCHEMBL16404005 0.81 ATP4A (0.59) ATP4AATP4BALDH1A1RAB9AMAPK1
SCHEMBL14224968 0.81 ATP4A (0.59) ATP4AATP4BALDH1A1RAB9AMAPK1
SCHEMBL16404003 0.81 ATP4A (0.61) ATP4AATP4BALDH1A1RAB9AMAPK1
SCHEMBL14224923 0.81 ATP4A (0.59) ATP4AATP4BALDH1A1RAB9AKDM4E

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2718290-B1 COMPOSITIONS AND METHODS FOR MODULATING A KINASE CLEVEXEL PHARMA (FR) 2016-05-04 EP disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
US-8937065-B2 Compositions and methods for modulating a kinase CLEVEXEL PHARMA (FR) 2015-01-20 US disclosed
WO-2012172438-A9 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2013-02-07 WO disclosed
WO-2012172438-A2 COMPOSITIONS AND METHODS FOR MODULATING A KINASE DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-20 WO disclosed
US-20120316148-A1 Compositions and Methods for Modulating a Kinase DYNAMIX PHARMACEUTICALS LTD. (IL) 2012-12-13 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20120316148-A1 Compositions and Methods for Modulating a Kinase PRKCH, MAP3K2, MAP3K6 ATP4A 4242/4885ATP4B 4379/4885ALDH1A1 4672/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.